Geometry & MOs

Info

ID:	230994
PubChem CID:	87572415
Reduced:	N2O4C21H40 (1)
Stoich.:	A2B4C21D40 (1)
Weight, g/mol:	355.108754
ΔH_f, kcal/mol:	-251.35
Dipole, Da:	4.68
IP(EA), eV:	-9.88(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NC(=O)CCC(C(=O)OCC)N

DOS

IR

Vibrations